(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid

C9H14N4O3 — CID 171043900

IUPAC(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
SMILESNc1ccn(CCC[C@H](N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H14N4O3/c10-6(8(14)15)2-1-4-13-5-3-7(11)12-9(13)16/h3,5-6H,1-2,4,10H2,(H,14,15)(H2,11,12,16)/t6-/m0/s1
InChIKeyYJQMKCWTPAHZDV-LURJTMIESA-N
MW226.24 g/mol
LogP-0.98
Rot. Bonds5

About (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid

(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid (PubChem CID 171043900) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
PubChem CID171043900
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
SMILESNc1ccn(CCC[C@H](N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H14N4O3/c10-6(8(14)15)2-1-4-13-5-3-7(11)12-9(13)16/h3,5-6H,1-2,4,10H2,(H,14,15)(H2,11,12,16)/t6-/m0/s1
InChIKeyYJQMKCWTPAHZDV-LURJTMIESA-N
XLogP-0.98
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid
CID 391680
5-Guanidino-2-[5-(4-imino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid
CID 391681
(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
CID 49867238
gamma-(n1-Cytosinyl)-alpha-aminobutyric acid
CID 129871215
5-Amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid
CID 19710917
4-Amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 19710923
2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid
CID 22326339
2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid
CID 22326394
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102214320
(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid
CID 142628798
(2S)-2-[5-(4-amino-2-oxopyrimidin-1-yl)pentoxycarbonylamino]-5-(diaminomethylideneamino)pentanoic acid
CID 10644496
(2S)-2-[5-(4-amino-2-oxopyrimidin-1-yl)pentoxycarbonylamino]-5-(carbamoylamino)pentanoic acid
CID 10644551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid (CID 171043900) is (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid is Nc1ccn(CCC[C@H](N)C(=O)O)c(=O)n1.
What is the InChIKey of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The InChIKey is YJQMKCWTPAHZDV-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N4O3/c10-6(8(14)15)2-1-4-13-5-3-7(11)12-9(13)16/h3,5-6H,1-2,4,10H2,(H,14,15)(H2,11,12,16)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 171043900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).